methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

C9H10ClF3N2O2S — CID 55009569

IUPACmethyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H10ClF3N2O2S/c1-3-15(4-9(11,12)13)8-14-6(10)5(18-8)7(16)17-2/h3-4H2,1-2H3
InChIKeyVJTHDHDUUQDCSU-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.97
Rot. Bonds4

About methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 55009569) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID55009569
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Namemethyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H10ClF3N2O2S/c1-3-15(4-9(11,12)13)8-14-6(10)5(18-8)7(16)17-2/h3-4H2,1-2H3
InChIKeyVJTHDHDUUQDCSU-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (CID 55009569) is methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is CCN(CC(F)(F)F)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VJTHDHDUUQDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-3-15(4-9(11,12)13)8-14-6(10)5(18-8)7(16)17-2/h3-4H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 302.71 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55009569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).